SCHEMBL4850388

SCHEMBL4850388

Cc1cc/c(=N/C2CC2)n(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2C P28335 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1D P28221 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14269331 1.00 ALDH1A1 (0.40) ALDH1A1HTTPOLBCYP1A2CYP3A4
SCHEMBL4850390 1.00 ALDH1A1 (0.40) ALDH1A1HTTPOLBCYP1A2CYP3A4
SCHEMBL4852106 0.80 NOTUM (0.46) ALDH1A1HTTPOLBCYP1A2CYP3A4
SCHEMBL4852112 0.80 NOTUM (0.46) ALDH1A1HTTPOLBCYP1A2CYP3A4
SCHEMBL4857558 0.79 SCN2B (0.44) HTTCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4857564 0.79 SCN2B (0.44) HTTCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL14269328 0.79 CTSK (0.40) ALDH1A1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL4852270 0.79 CTSK (0.40) ALDH1A1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL4857619 0.77 FFAR1 (0.45) ALDH1A1HTTPOLBCYP1A2CYP3A4
SCHEMBL4857610 0.77 FFAR1 (0.45) ALDH1A1HTTPOLBCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-20060122062-A1 Substituted iminoazines MULLER KLAUS-HELMUT 2006-06-08 US disclosed
US-20040029881-A1 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060122062-A1 Substituted iminoazines IDH2, DDT, CYP1A2 ALDH1A1 185/4885HTT 1976/4885POLB 3231/4885
US-20040029881-A1 Substituted iminoazines CYP4Z1, DDT, CYP1A1 ALDH1A1 61/4885HTT 2198/4885POLB 2878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.